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[ CAS No. 6674-22-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 6674-22-2
Chemical Structure| 6674-22-2
Chemical Structure| 6674-22-2
Structure of 6674-22-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 6674-22-2 ]

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Product Details of [ 6674-22-2 ]

CAS No. :6674-22-2 MDL No. :MFCD00006930
Formula : C9H16N2 Boiling Point : -
Linear Structure Formula :- InChI Key :GQHTUMJGOHRCHB-UHFFFAOYSA-N
M.W : 152.24 Pubchem ID :81184
Synonyms :

Calculated chemistry of [ 6674-22-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.89
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 54.97
TPSA : 15.6 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.25 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.14
Log Po/w (XLOGP3) : 1.38
Log Po/w (WLOGP) : 0.9
Log Po/w (MLOGP) : 1.88
Log Po/w (SILICOS-IT) : 2.41
Consensus Log Po/w : 1.74

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.65
Solubility : 3.38 mg/ml ; 0.0222 mol/l
Class : Very soluble
Log S (Ali) : -1.31
Solubility : 7.44 mg/ml ; 0.0489 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.73
Solubility : 2.84 mg/ml ; 0.0187 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.95

Safety of [ 6674-22-2 ]

Signal Word:Danger Class:8,6.1
Precautionary Statements:P234-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 UN#:2922
Hazard Statements:H290-H301-H314-H412 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 6674-22-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 6674-22-2 ]
  • Downstream synthetic route of [ 6674-22-2 ]

[ 6674-22-2 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 6674-22-2 ]
  • [ 24566-95-8 ]
Reference: [1] Helvetica Chimica Acta, 1981, vol. 64, # 2, p. 399 - 406
[2] Journal of the Chemical Society - Perkin Transactions 1, 1999, # 6, p. 705 - 714
[3] Amino Acids, 2011, vol. 40, # 1, p. 197 - 204
[4] Journal of Materials Chemistry A, 2018, vol. 6, # 26, p. 12637 - 12646
  • 2
  • [ 13734-36-6 ]
  • [ 6674-22-2 ]
  • [ 74-88-4 ]
  • [ 42492-57-9 ]
Reference: [1] Patent: US5494925, 1996, A,
[2] Patent: US5512576, 1996, A,
[3] Patent: US5541168, 1996, A,
[4] Patent: US5556909, 1996, A,
[5] Patent: US5602154, 1997, A,
  • 3
  • [ 108-48-5 ]
  • [ 6674-22-2 ]
  • [ 1025373-45-8 ]
  • [ 114344-60-4 ]
Reference: [1] Patent: US4975435, 1990, A,
  • 4
  • [ 75-44-5 ]
  • [ 131211-27-3 ]
  • [ 6674-22-2 ]
  • [ 157282-19-4 ]
Reference: [1] Patent: US2004/68131, 2004, A1,
  • 5
  • [ 6674-22-2 ]
  • [ 211244-81-4 ]
Reference: [1] Patent: US2003/73668, 2003, A1,
[2] Patent: US2004/224958, 2004, A1,
[3] Patent: US6498163, 2002, B1,
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